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Compound Detail

CHEMBL5397204

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O=C1C(NCCC2(O)CCN(C(=O)C3CC3(F)F)CC2)=C(Cl)C(=O)c2ncccc21

Basic Information

ChEMBL ID CHEMBL5397204
Phase Preclinical
Structure Type MOL
InChI Key OGFBLOLLFBNITG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

439.9
MW (Da)
1.90
ALogP
6
HBA
2
HBD
99.6
PSA (Ų)
0.73
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H20ClF2N3O4
MW 439.85
Aromatic Rings 1
Heavy Atoms 30
NP-Likeness -0.09

Activity Summary

IC50 1 meas. best 5.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histone-lysine N-methyltransferase NSD2
CHEMBL3108645
IC50 5.89 5.89 1280.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
36642961 10.1021/acs.jmedchem.2c01920 Histone-lysine N-methyltransferase NSD2 1

Data from ChEMBL 36 via Core Engine